SCHEMBL69802

SCHEMBL69802

[c]1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.45
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
IDO1 P14902 2/20 0.39
CYP3A4 P08684 1/20 0.39
NPY5R Q15761 1/20 0.38
SCN2A Q99250 1/20 0.38
MASP2 O00187 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 3/20 0.34
NOTUM Q6P988 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGDS O60760 1/20 0.34
HPGD P15428 2/20 0.33
GFER P55789 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4050297 0.96 SCN4A (0.42) SCN4ARAB9APOLBIDO1CYP3A4
SCHEMBL4053215 0.86 NISCH (0.42) SCN4ARAB9APOLBALDH1A1KDM4E
SCHEMBL4044619 0.82 MKNK1 (0.41) IDO1CYP3A4CDK5CDK5R1
SCHEMBL4047215 0.80 CYP1A2 (0.40) RAB9APOLBIDO1CYP3A4ALDH1A1
SCHEMBL5092536 0.80 PDPK1 (0.48) IDO1NPY5RNOTUMMAPT
SCHEMBL4045984 0.79 RAB9A (0.55) RAB9APOLBALDH1A1KDM4EMAPT
SCHEMBL4044196 0.79 TGFBR1 (0.46) RAB9APOLBCYP3A4CDK1GSK3A
SCHEMBL1897590 0.78 POLB (0.42) SCN4ARAB9APOLBALDH1A1GAA
SCHEMBL71449 0.78 ESR1 (0.40) RAB9APOLBALDH1A1MAPTHPGD
SCHEMBL1899116 0.78 POLB (0.48) RAB9APOLBSCN2AALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 140 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108752412-B Boswellic acid derivatives and their use 沈阳药科大学 2020-10-13 CN claimed
CN-107201015-B A kind of antibacterial heat-proof polylactic acid tableware and preparation method thereof 重庆晋豪美耐皿制品有限公司 2019-11-08 CN claimed
CN-101686979-A The urea modulators that the heteroaryl of fatty acid amide hydrolase replaces JANSSEN PHARMACEUTICA NV 2010-03-31 CN claimed
EP-2164493-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-03-24 EP claimed
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2009-03-05 US claimed
WO-2008153752-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 WO claimed
EP-1832586-A1 Thiazole-piperidine derivatives in treatment of diseases of liver and the pancreas Oridis Biomed Forschungs- und Entwicklungs GmbH (AT) 2007-09-12 EP claimed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
CN-108752412-B Boswellic acid derivatives and their use 沈阳药科大学 2020-10-13 CN disclosed
US-20200125564-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2020-04-23 US disclosed
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2020-01-28 US disclosed
CN-107201015-B A kind of antibacterial heat-proof polylactic acid tableware and preparation method thereof 重庆晋豪美耐皿制品有限公司 2019-11-08 CN disclosed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US disclosed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US disclosed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 WO disclosed
US-5616579-A ADMINISTERING TO MAMMALS TO PREVENT GASTRIC ULCER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed
EP-0562833-B1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO CO (JP) 1996-05-08 EP disclosed
CN-1081437-A Antiulcer pyridine oxygen derivative, their preparation method and purposes SANKYO CO (JP) 1994-02-02 CN disclosed
EP-0562833-A1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 SCN4A 1501/4885RAB9A 1675/4885POLB 1725/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN SCN4A 3008/4885RAB9A 357/4885POLB 1747/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN SCN4A 3008/4885RAB9A 357/4885POLB 1747/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 SCN4A 747/4885RAB9A 2611/4885POLB 3743/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.